CID 138504

1-propylcyclohexanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCC1(CCCCC1)O

InChI

InChI=1S/C9H18O/c1-2-6-9(10)7-4-3-5-8-9/h10H,2-8H2,1H3

InChIKey

PYLPYOPJKOJRNP-UHFFFAOYSA-N

Compound name

1-propylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 596
Patents: 142.13577 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.143046	133.6
[M+Na]+	165.124988	138.3
[M-H]-	141.128494	135.0
[M+NH4]+	160.169593	156.2
[M+K]+	181.098928	137.0
[M+H-H2O]+	125.133030	129.1
[M+HCOO]-	187.133971	152.5
[M+CH3COO]-	201.149621	171.4
[M+Na-2H]-	163.110436	139.3
[M]+	142.13522142	129.0
[M]-	142.13631858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe